pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.5	Baltruschat ChEMBL	2	1	Cc1cc(COc2cc(C)[nH+]n2CC[NH3+])n(-c2ccccc2)n1,Cc1cc(OCc2cc(C)[nH+]n2-c2ccccc2)n(CC[NH3+])n1	Cc1cc(OCc2cc(C)nn2-c2ccccc2)n(CC[NH3+])n1	mol18649	Cc1cc(OCc2cc(C)nn2-c2ccccc2)n(CCN)n1